1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CSC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CSC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C20H23N3O3S2/c1-3-14-6-4-5-13(2)19(14)21-20(27)23-22-18(24)12-28-15-7-8-16-17(11-15)26-10-9-25-16/h4-8,11H,3,9-10,12H2,1-2H3,(H,22,24)(H2,21,23,27)